CID 4616897

Ethyl 6-ethoxy-2-hydroxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CCOC1=CC=CC(=C1C(=O)OCC)O

InChI

InChI=1S/C11H14O4/c1-3-14-9-7-5-6-8(12)10(9)11(13)15-4-2/h5-7,12H,3-4H2,1-2H3

InChIKey

RWBODKGPEZVFRX-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxy-6-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 210.0892 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.09648	145.0
[M+Na]+	233.07842	156.6
[M+NH4]+	228.12302	151.8
[M+K]+	249.05236	151.6
[M-H]-	209.08192	145.4
[M+Na-2H]-	231.06387	149.9
[M]+	210.08865	146.5
[M]-	210.08975	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe